Information card for entry 7132133

Structure parameters

• Chemical name: 9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(bistriflimide) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-p-tolylmethanimine) acetonitrile solvate
• Formula: C90 H70 F24 N12 O16 S8
• Calculated formula: C90 H70 F24 N12 O16 S8
• Title of publication: Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.
• Authors of publication: Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 11.6487 ± 0.0008 Å
• b: 12.2187 ± 0.0009 Å
• c: 17.8531 ± 0.0013 Å
• α: 74.707 ± 0.001°
• β: 73.741 ± 0.001°
• γ: 84.249 ± 0.001°
• Cell volume: 2352.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No